@MOLECULE (3r)-3-(carboxymethyl)-l-proline 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3239 -2.1953 0.0229 O.3 1 UNL1111111111 -0.5660 2 OXT 3.0913 -0.9783 -0.5922 O.2 1 UNL1111111111 -0.4981 3 O -3.5798 -0.6343 0.6810 O.3 1 UNL1111111111 -0.5686 4 O -2.7233 0.0709 -1.2509 O.2 1 UNL1111111111 -0.5060 5 N 1.9821 1.3659 0.5811 N.3 1 UNL1111111111 -0.5332 6 C -0.1224 0.2971 -0.1083 C.3 1 UNL1111111111 -0.0930 7 CA 1.2402 0.0855 0.6085 C.3 1 UNL1111111111 -0.0333 8 C -0.2862 1.8274 -0.1561 C.3 1 UNL1111111111 -0.2978 9 C 1.1517 2.3750 -0.1301 C.3 1 UNL1111111111 -0.1037 10 C -1.2532 -0.4078 0.6375 C.3 1 UNL1111111111 -0.3652 11 C 2.0167 -1.0316 -0.0575 C.2 1 UNL1111111111 0.5949 12 C -2.5363 -0.2794 -0.1164 C.2 1 UNL1111111111 0.6509 13 H -0.0739 -0.0984 -1.1536 H 1 UNL1111111111 0.1650 14 HA 1.0942 -0.1746 1.6936 H 1 UNL1111111111 0.1833 15 H -0.8603 2.1978 0.7109 H 1 UNL1111111111 0.1513 16 H -0.8404 2.1473 -1.0542 H 1 UNL1111111111 0.1600 17 H 1.5207 2.5836 -1.1531 H 1 UNL1111111111 0.1232 18 H 1.2209 3.3205 0.4486 H 1 UNL1111111111 0.1497 19 H 2.9065 1.2627 0.1615 H 1 UNL1111111111 0.2782 20 H -1.0114 -1.4914 0.7695 H 1 UNL1111111111 0.2010 21 H -1.3694 -0.0133 1.6717 H 1 UNL1111111111 0.1890 22 H 1.7879 -2.9662 -0.3911 H 1 UNL1111111111 0.3619 23 H -4.4584 -0.5844 0.2316 H 1 UNL1111111111 0.3567 @BOND 1 1 11 1 2 1 22 1 3 2 11 2 4 3 12 1 5 3 23 1 6 4 12 2 7 5 7 1 8 5 9 1 9 5 19 1 10 6 7 1 11 6 8 1 12 6 10 1 13 6 13 1 14 7 11 1 15 7 14 1 16 8 9 1 17 8 15 1 18 8 16 1 19 9 17 1 20 9 18 1 21 10 12 1 22 10 20 1 23 10 21 1